[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC

InChI

InChI=1S/C21H25NO3S/c1-3-14-5-8-17(9-6-14)22-20(23)13-25-21(24)19-12-16-11-15(4-2)7-10-18(16)26-19/h5-6,8-9,12,15H,3-4,7,10-11,13H2,1-2H3,(H,22,23)/t15-/m1/s1